subroutine ethylene_init()
use molecule
implicit none
   !-------------------------------------------------------------------------
   natom    = 6
   neighmax = 3
   molname  = "ethene"
   !
   if ( allocated(neigh   )) deallocate( neigh   )
   if ( allocated(element )) deallocate( element )
   if ( allocated(molpos  )) deallocate( molpos  )
   if ( allocated(chg     )) deallocate( chg     )
   allocate( element(natom), neigh(neighmax, natom), molpos(3,natom), chg(natom) )
   !
   element( 1) = "CM"
   element( 2) = "HC"
   element( 3) = "HC"
   element( 4) = "CM"
   element( 5) = "HC"
   element( 6) = "HC"
   !
   chg(1) = -0.23D0
   chg(2) = 0.115D0
   chg(3) = 0.115D0
   chg(4) = -0.23D0
   chg(5) = 0.115D0
   chg(6) = 0.115D0
   !
   neigh(:, 1) = (/ 2, 3, 4 /)
   neigh(:, 2) = (/ 1, 0, 0 /)
   neigh(:, 3) = (/ 1, 0, 0 /)
   neigh(:, 4) = (/ 1, 5, 6 /)
   neigh(:, 5) = (/ 4, 0, 0 /)
   neigh(:, 6) = (/ 4, 0, 0 /)
   !
   molpos(:, 1) = (/ -2.4789789561D0, -0.0120427528D0,  0.3140944060D0 /) ! C --> H2C=
   molpos(:, 2) = (/ -3.3579829835D0, -0.0110530222D0,  0.9600682461D0 /) ! H --> H2C=
   molpos(:, 3) = (/ -2.6302631940D0, -0.0229824644D0, -0.7667704305D0 /) ! H --> H2C=
   molpos(:, 4) = (/ -1.2554979739D0, -0.0000875511D0,  0.8454014669D0 /) ! C --> =CH2
   molpos(:, 5) = (/ -1.1632102759D0,  0.0112257082D0,  1.9343567904D0 /) ! H --> =CH2
   molpos(:, 6) = (/ -0.3596604800D0, -0.0000250806D0,  0.2421808000D0 /) ! H --> =CH2
   !-------------------------------------------------------------------------
end subroutine ethylene_init
